CID 615781

N-(2-ethylphenyl)-2-iodobenzamide

Structural Information

Molecular Formula
C15H14INO
SMILES
CCC1=CC=CC=C1NC(=O)C2=CC=CC=C2I
InChI
InChI=1S/C15H14INO/c1-2-11-7-3-6-10-14(11)17-15(18)12-8-4-5-9-13(12)16/h3-10H,2H2,1H3,(H,17,18)
InChIKey
RNIGBYALUSQSSG-UHFFFAOYSA-N
Compound name
N-(2-ethylphenyl)-2-iodobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

351.01202 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.019296 167.1
[M+Na]+ 374.001238 166.8
[M-H]- 350.004744 166.3
[M+NH4]+ 369.045843 179.2
[M+K]+ 389.975178 168.7
[M+H-H2O]+ 334.009280 155.7
[M+HCOO]- 396.010221 185.9
[M+CH3COO]- 410.025871 204.0
[M+Na-2H]- 371.986686 159.6
[M]+ 351.01147142 163.9
[M]- 351.01256858 163.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.